Geometry & MOs

Info

ID:	185641
PubChem CID:	77324305
Reduced:	SN4O5C19H28 (1)
Stoich.:	AB4C5D19E28 (1)
Weight, g/mol:	479.314792
ΔH_f, kcal/mol:	-194.44
Dipole, Da:	5.84
IP(EA), eV:	-8.9(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(1-adamantyl)-2-oxoethyl]-N-(2-aminopentanoyl)-N-benzylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1C2C(C(=O)N2C(=C1SC3CC(NC3)C(=O)NC4CCNC4)C(=O)O)C(C)O

DOS

IR

Vibrations